N-(6-chloro-3-pyridinyl)-2-methoxy-N-[1-(2-phenylethyl)piperidin-4-yl]acetamide

C21H26ClN3O2 — CID 14330377

IUPACN-(6-chloro-3-pyridinyl)-2-methoxy-N-[1-(2-phenylethyl)piperidin-4-yl]acetamide
SMILESCOCC(=O)N(c1ccc(Cl)nc1)C1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C21H26ClN3O2/c1-27-16-21(26)25(19-7-8-20(22)23-15-19)18-10-13-24(14-11-18)12-9-17-5-3-2-4-6-17/h2-8,15,18H,9-14,16H2,1H3
InChIKeyLAXQYQGOUJXZFP-UHFFFAOYSA-N
MW387.91 g/mol
LogP3.42
Rot. Bonds7

About N-(6-chloro-3-pyridinyl)-2-methoxy-N-[1-(2-phenylethyl)piperidin-4-yl]acetamide

N-(6-chloro-3-pyridinyl)-2-methoxy-N-[1-(2-phenylethyl)piperidin-4-yl]acetamide (PubChem CID 14330377) has the molecular formula C21H26ClN3O2 and a molecular weight of 387.91 g/mol. Its IUPAC name is N-(6-chloro-3-pyridinyl)-2-methoxy-N-[1-(2-phenylethyl)piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-(6-chloro-3-pyridinyl)-2-methoxy-N-[1-(2-phenylethyl)piperidin-4-yl]acetamide
PubChem CID14330377
Molecular FormulaC21H26ClN3O2
Molecular Weight387.91 g/mol
Exact Mass387.17
IUPAC NameN-(6-chloro-3-pyridinyl)-2-methoxy-N-[1-(2-phenylethyl)piperidin-4-yl]acetamide
SMILESCOCC(=O)N(c1ccc(Cl)nc1)C1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C21H26ClN3O2/c1-27-16-21(26)25(19-7-8-20(22)23-15-19)18-10-13-24(14-11-18)12-9-17-5-3-2-4-6-17/h2-8,15,18H,9-14,16H2,1H3
InChIKeyLAXQYQGOUJXZFP-UHFFFAOYSA-N
XLogP3.42
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.91
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-3-pyridinyl)-2-methoxy-N-[1-(2-phenylethyl)piperidin-4-yl]acetamide?
The IUPAC name of N-(6-chloro-3-pyridinyl)-2-methoxy-N-[1-(2-phenylethyl)piperidin-4-yl]acetamide (CID 14330377) is N-(6-chloro-3-pyridinyl)-2-methoxy-N-[1-(2-phenylethyl)piperidin-4-yl]acetamide.
What is the SMILES notation for N-(6-chloro-3-pyridinyl)-2-methoxy-N-[1-(2-phenylethyl)piperidin-4-yl]acetamide?
The canonical SMILES for N-(6-chloro-3-pyridinyl)-2-methoxy-N-[1-(2-phenylethyl)piperidin-4-yl]acetamide is COCC(=O)N(c1ccc(Cl)nc1)C1CCN(CCc2ccccc2)CC1.
What is the InChIKey of N-(6-chloro-3-pyridinyl)-2-methoxy-N-[1-(2-phenylethyl)piperidin-4-yl]acetamide?
The InChIKey is LAXQYQGOUJXZFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClN3O2/c1-27-16-21(26)25(19-7-8-20(22)23-15-19)18-10-13-24(14-11-18)12-9-17-5-3-2-4-6-17/h2-8,15,18H,9-14,16H2,1H3.
What are the key properties of N-(6-chloro-3-pyridinyl)-2-methoxy-N-[1-(2-phenylethyl)piperidin-4-yl]acetamide?
N-(6-chloro-3-pyridinyl)-2-methoxy-N-[1-(2-phenylethyl)piperidin-4-yl]acetamide has a molecular weight of 387.91 g/mol, XLogP of 3.42, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-3-pyridinyl)-2-methoxy-N-[1-(2-phenylethyl)piperidin-4-yl]acetamide is sourced from PubChem (CID 14330377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).